CAS 362492-00-0 2-(tert-Butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (HCID 22258602)

基本情報

CAS: 362492-00-0
標準SMILES: CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1C(=O)O
InChIKey: KCDBTPOYUDNXBR-UHFFFAOYSA-N
分子式: C15H19NO5
平均分子量: 293.31 g/mol
単同位体質量: 293.12632271

名称と識別子

優先名称: 2-(tert-Butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
IUPAC: 6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
英語名: 2-Boc-6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
分子式: C15H19NO5
分子量: 293.32

名称と別名

362492-00-02-(tert-butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidDTXSID10623986RefChem:254786DTXCID905747402-Boc-6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid2-boc-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidMFCD041148472-boc-6-hydroxy-3,4-dihydro-1h-isoquinoline-1-carboxylic acid6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid2-[(tert-butoxy)carbonyl]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid6-hydroxy-3,4-dihydro-1h-isoquinoline-1,2-dicarboxylic acid 2-tert-butyl ester

名称をさらに表示

2-Boc-6-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic2-Boc-6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylicacid362492-00-02-Boc-6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid, CAS 362492-00-01,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-hydroxy-, 2-(1,1-dimethylethyl) ester

2-(tert-Butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacidKCDBTPOYUDNXBR-UHFFFAOYSA-NBoc-DL-Tiq(6-OH)-OHSCHEMBL30696532-Boc-6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacid2-tert-butoxycarbonyl-6-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acidAKOS015841299AB19091

物性

構造計算による物性

XLogP: 2.1
極性表面積: 87.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 417

物理化学的性質

貯蔵温度: 2 · 2-8°C, stored under nitrogen

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

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化合物ノート

読み込み中…

2-(tert-Butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid